Geometry & MOs

Info

ID:	27823
PubChem CID:	823741
Reduced:	O2S2N3C16H17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-33.98
Dipole, Da:	3.87
IP(EA), eV:	-8.62(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylphenyl)carbamothioyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CS2

DOS

IR

Vibrations