Geometry & MOs

Info

ID:	265049
PubChem CID:	103508277
Reduced:	SN2O2C16H26 (1)
Stoich.:	AB2C2D16E26 (1)
Weight, g/mol:	295.171834
ΔH_f, kcal/mol:	-91.45
Dipole, Da:	5.23
IP(EA), eV:	-8.1(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-cyclopropyl-5-(4-methylhexan-2-ylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)CC(C)NC1=C(C(=C(S1)C(=O)OC)N)C2CC2

DOS

IR

Vibrations