Geometry & MOs

Info

ID:

306471

PubChem CID:

125081917

Reduced:

SN4O6C30H36 (1)

Stoich.:

AB4C6D30E36 (1)

Weight, g/mol:

619.167448

ΔHf, kcal/mol:

-125.68

Dipole, Da:

12.48

IP(EA), eV:

 -9.46(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-[(2S)-butan-2-yl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations