Geometry & MOs

Info

ID:	121710
PubChem CID:	50778488
Reduced:	ClOSN5H20C26 (1)
Stoich.:	ABCD5E20F26 (1)
Weight, g/mol:	398.125802
ΔH_f, kcal/mol:	103.31
Dipole, Da:	4.29
IP(EA), eV:	-9.26(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC(=N2)C3=CC=CC=C3)N=C1C)SC4=CC=CC=C4NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations