Geometry & MOs

Info

ID:	27824
PubChem CID:	823742
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	2.63
IP(EA), eV:	-8.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)carbamothioyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC(=S)NC1=CC=C(C=C1)CC

DOS

IR

Vibrations