Geometry & MOs

Info

ID:	149209
PubChem CID:	53788881
Reduced:	SO3H16C20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	727.255291
ΔH_f, kcal/mol:	-32.03
Dipole, Da:	2.5
IP(EA), eV:	-9.43(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dichlorophenyl)-4-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C(C=O)C3=CC=CS3

DOS

IR

Vibrations