Geometry & MOs

Info

ID:	387944
PubChem CID:	134987490
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-37.34
Dipole, Da:	7.4
IP(EA), eV:	-8.24(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-formyl-3-methoxy-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

COC[C@H]1CCCN1C2=CC=C(S2)/C=C/C=O

DOS

IR

Vibrations