Geometry & MOs

Info

ID:	162750
PubChem CID:	57566574
Reduced:	O3N8C21H22 (1)
Stoich.:	A3B8C21D22 (1)
Weight, g/mol:	447.165502
ΔH_f, kcal/mol:	-16.29
Dipole, Da:	4.44
IP(EA), eV:	-8.84(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-(3-oxo-2H-pyridin-6-yl)-1H-benzimidazol-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NC1=NC2=C(C=C(C=C2N1)N3C=C(N=C3)CCNC(=O)C)C4=NC=CC=N4

DOS

IR

Vibrations