Geometry & MOs

Info

ID:	233997
PubChem CID:	92297502
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	411.194677
ΔH_f, kcal/mol:	-60.6
Dipole, Da:	3.87
IP(EA), eV:	-8.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-ethoxyphenyl)-N-naphthalen-1-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=O)N(C(=NC3=CC=CC=C3)S2)C

DOS

IR

Vibrations