Geometry & MOs

Info

ID:	265495
PubChem CID:	103525385
Reduced:	ClO2N5C12H12 (1)
Stoich.:	AB2C5D12E12 (1)
Weight, g/mol:	312.125612
ΔH_f, kcal/mol:	40.23
Dipole, Da:	3.95
IP(EA), eV:	-9.3(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-4-carbamoyl-5-(piperidin-4-ylamino)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=CC(=NC(=N2)N)Cl

DOS

IR

Vibrations