Geometry & MOs

Info

ID:	54399
PubChem CID:	17138135
Reduced:	NO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	405.118084
ΔH_f, kcal/mol:	-119.12
Dipole, Da:	4.54
IP(EA), eV:	-8.62(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)OCCC

DOS

IR

Vibrations