Geometry & MOs

Info

ID:	141018
PubChem CID:	52802950
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-48.85
Dipole, Da:	4.26
IP(EA), eV:	-8.76(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(5-tert-butyl-2-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNC(=O)NC[C@H]2CCCN(C2)CC3=CC=CS3

DOS

IR

Vibrations