Geometry & MOs

Info

ID:

180844

PubChem CID:

76693622

Reduced:

SN4O5C15H20 (1)

Stoich.:

AB4C5D15E20 (1)

Weight, g/mol:

613.13557

ΔHf, kcal/mol:

-185.66

Dipole, Da:

6.2

IP(EA), eV:

 -9.4(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[4-[5-chloro-2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoylamino]-3-(2-hydroxyethylamino)-3-oxopropyl]-1H-imidazol-4-yl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCC(CC2)OC3=CC=CC=N3

DOS

IR

Vibrations