Geometry & MOs

Info

ID:	139612
PubChem CID:	52570924
Reduced:	N2O5C27H28 (1)
Stoich.:	A2B5C27D28 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-119.82
Dipole, Da:	8.36
IP(EA), eV:	-8.31(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)N2C[C@H](CC2=O)C(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations