Geometry & MOs

Info

ID:	173701
PubChem CID:	75671747
Reduced:	FN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-64.92
Dipole, Da:	4.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.985630
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CO1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)F

DOS

IR

Vibrations