Geometry & MOs

Info

ID:	364841
PubChem CID:	127316282
Reduced:	OSN2C9H12 (2)
Stoich.:	ABC2D9E12 (2)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-53.74
Dipole, Da:	8.89
IP(EA), eV:	-8.21(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-N-(thian-4-ylmethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N=C1C)C)C2=NC(=C(S2)C(=O)NCC3CCSCC3)C

DOS

IR

Vibrations