Geometry & MOs

Info

ID:	348802
PubChem CID:	127274450
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	-59.35
Dipole, Da:	5.74
IP(EA), eV:	-8.52(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations