Geometry & MOs

Info

ID:	306499
PubChem CID:	125083921
Reduced:	BrSN3O4C34H36 (1)
Stoich.:	ABC3D4E34F36 (1)
Weight, g/mol:	537.229742
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	5.1
IP(EA), eV:	-9.05(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC(=O)N(CC1=CC(=CC=C1)Br)[C@H](CC2=CC=CC=C2)C(=O)NC3CCCC3)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations