Geometry & MOs

Info

ID:

306620

PubChem CID:

125092624

Reduced:

SN4O6C29H34 (1)

Stoich.:

AB4C6D29E34 (1)

Weight, g/mol:

678.168176

ΔHf, kcal/mol:

-116.17

Dipole, Da:

11.98

IP(EA), eV:

 -9.48(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetyl]-[(4-chlorophenyl)methyl]amino]butanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](CC)N(CC1=CC=CC=C1)C(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations