Geometry & MOs

Info

ID:	306570
PubChem CID:	125088775
Reduced:	BrSN4O4C26H37 (1)
Stoich.:	ABC4D4E26F37 (1)
Weight, g/mol:	647.22207
ΔH_f, kcal/mol:	-146.83
Dipole, Da:	5.56
IP(EA), eV:	-9.06(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2R)-butan-2-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N(CC(=O)N(CC2=CC(=CC=C2)Br)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)N(C)C

DOS

IR

Vibrations