Geometry & MOs

Info

ID:	224048
PubChem CID:	85337517
Reduced:	N2O5C31H34 (1)
Stoich.:	A2B5C31D34 (1)
Weight, g/mol:	402.115047
ΔH_f, kcal/mol:	-134.45
Dipole, Da:	3.73
IP(EA), eV:	-8.84(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-cyanothiophen-3-yl)phenyl]-2-[3-(N'-hydroxycarbamimidoyl)phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC=CC=CC(=O)N1CC2=C(CC1C(=O)O)C=CC(=C2)OCCC3=C(OC(=N3)C4=CC=C(C=C4)C(C)C)C

DOS

IR

Vibrations