Geometry & MOs

Info

ID:	236463
PubChem CID:	92713161
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-85.21
Dipole, Da:	1.39
IP(EA), eV:	-8.28(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6-methoxy-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNC(=O)CN2C[C@@H](SC3=CC=CC=C32)C)OC

DOS

IR

Vibrations