Geometry & MOs

Info

ID:	141412
PubChem CID:	52874758
Reduced:	SO2N3C23H32 (1)
Stoich.:	AB2C3D23E32 (1)
Weight, g/mol:	413.213698
ΔH_f, kcal/mol:	-45.98
Dipole, Da:	13.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.994736
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCC[NH+]1CCC(CC1)NC(=O)C2=C(SC=C2)NC(=O)C3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations