Geometry & MOs

Info

ID:	306631
PubChem CID:	125093001
Reduced:	SN3O8C32H41 (1)
Stoich.:	AB3C8D32E41 (1)
Weight, g/mol:	589.156883
ΔH_f, kcal/mol:	-265.03
Dipole, Da:	8.02
IP(EA), eV:	-8.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-benzylamino]-N-[(2S)-butan-2-yl]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations