Geometry & MOs

Info

ID:	306474
PubChem CID:	125081925
Reduced:	BrSN3O4C29H34 (1)
Stoich.:	ABC3D4E29F34 (1)
Weight, g/mol:	607.147461
ΔH_f, kcal/mol:	-123.18
Dipole, Da:	5.19
IP(EA), eV:	-9.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-[(2S)-butan-2-yl]butanamide

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

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)NC(C)(C)C)C3=CC=C(C=C3)Br

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

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)NC(C)(C)C)C3=CC=C(C=C3)Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):