Geometry & MOs

Info

ID:	29374
PubChem CID:	833412
Reduced:	SN2O3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-77.4
Dipole, Da:	4.17
IP(EA), eV:	-8.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]butanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC=CC(=C2)CO

DOS

IR

Vibrations