Geometry & MOs

Info

ID:	449190
PubChem CID:	135296671
Reduced:	NS2C4H5 (1)
Stoich.:	AB2C4D5 (1)
Weight, g/mol:	836.426134
ΔH_f, kcal/mol:	31.13
Dipole, Da:	3.36
IP(EA), eV:	-8.68(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(cyclopropylmethyl)-6-[[3-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidine-1-carbonyl]-5-methoxyphenoxy]methyl]benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=CS1)S

DOS

IR

Vibrations