Geometry & MOs

Info

ID:	133118
PubChem CID:	51479293
Reduced:	N3O4H27C30 (1)
Stoich.:	A3B4C27D30 (1)
Weight, g/mol:	455.220892
ΔH_f, kcal/mol:	-72.61
Dipole, Da:	2.75
IP(EA), eV:	-8.59(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC[C@@H](C4=CC=CC=C4)C5=CNC6=CC=CC=C65

DOS

IR

Vibrations