Geometry & MOs

Info

ID:	129374
PubChem CID:	51072399
Reduced:	SN2O3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-50.98
Dipole, Da:	6.54
IP(EA), eV:	-9.25(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C#N)NC(=O)COC2=CC=CC(=C2)C(=O)C)C

DOS

IR

Vibrations