Geometry & MOs

Info

ID:	398481
PubChem CID:	135033476
Reduced:	O4C19H28 (1)
Stoich.:	A4B19C28 (1)
Weight, g/mol:	945.48564
ΔH_f, kcal/mol:	-174.71
Dipole, Da:	2.41
IP(EA), eV:	-9.23(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-[[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]phenyl]methyl]-9-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-1,5,9-triazacyclododec-1-yl]sulfonyl]-N,N-dimethylnaphthalen-1-amine

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1C[C@@H]2[C@H](CC[C@H](C[C@@H](O2)CCOCC3=CC=CC=C3)O)OC1

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1C[C@@H]2[C@H](CC[C@H](C[C@@H](O2)CCOCC3=CC=CC=C3)O)OC1

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):