Geometry & MOs

Info

ID:

306470

PubChem CID:

125081916

Reduced:

SN3Cl4O4C29H31 (1)

Stoich.:

AB3C4D4E29F31 (1)

Weight, g/mol:

580.235556

ΔHf, kcal/mol:

-146.05

Dipole, Da:

7.28

IP(EA), eV:

 -8.95(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-[(2S)-butan-2-yl]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations