Geometry & MOs

Info

ID:	236905
PubChem CID:	92715596
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	-38.91
Dipole, Da:	3.85
IP(EA), eV:	-8.41(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R,7aR)-N-(3,5-dimethylphenyl)-1'-ethyl-2'-oxospiro[3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole-5,3'-indole]-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NC3=CC=C(C=C3)OC)[C@@H](C(C2=O)(C)C)N4CCCCC4

DOS

IR

Vibrations