Geometry & MOs

Info

ID:

306638

PubChem CID:

125093182

Reduced:

SCl2N4O7C24H30 (1)

Stoich.:

AB2C4D7E24F30 (1)

Weight, g/mol:

541.180205

ΔHf, kcal/mol:

-208.18

Dipole, Da:

5.62

IP(EA), eV:

 -9.48(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-[(2R)-butan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](C)N(CC1=C(C=CC=C1Cl)Cl)C(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)C

DOS

IR

Vibrations