Geometry & MOs

Info

ID:	168681
PubChem CID:	75001620
Reduced:	INSO5H20C23 (1)
Stoich.:	ABCD5E20F23 (1)
Weight, g/mol:	528.204256
ΔH_f, kcal/mol:	-107.53
Dipole, Da:	2.1
IP(EA), eV:	-9.46(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(aminomethyl)phenyl]-2-[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2C(C(C2=O)I)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations