Geometry & MOs

Info

ID:	47179
PubChem CID:	10530334
Reduced:	O2N5C33H35 (1)
Stoich.:	A2B5C33D35 (1)
Weight, g/mol:	533.244724
ΔH_f, kcal/mol:	38.23
Dipole, Da:	4.59
IP(EA), eV:	-8.69(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2,2-dimethylpropanoyloxy)ethyl-pentylamino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C=C(C3=C2C(=CC=C3)C(=O)O)CN4C=CN=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations