Geometry & MOs

Info

ID:	164632
PubChem CID:	74428534
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	519.240307
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	2.91
IP(EA), eV:	-8.56(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1C(=O)C)C)C2=CC=CC=C2C(=O)C=CC3=NC(=CC=C3)C=CC(=O)NO

DOS

IR

Vibrations