Geometry & MOs

Info

ID:	131073
PubChem CID:	51151129
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	12.35
Dipole, Da:	5.11
IP(EA), eV:	-9.34(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7a-methyl-5-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

DOS

IR

Vibrations