Geometry & MOs

Info

ID:	307420
PubChem CID:	125299895
Reduced:	SN4O4C18H30 (1)
Stoich.:	AB4C4D18E30 (1)
Weight, g/mol:	481.199301
ΔH_f, kcal/mol:	-121.3
Dipole, Da:	1.22
IP(EA), eV:	-8.4(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-dihydroimidazol-4-yl]methyl 2-aminoacetate

Drug info:

PubChemData

Smile

CC[C@H]1C(=C(N=N1)S(=O)(=O)N2CCN(CC2)C3CCCCC3)C(=O)OCC

DOS

IR

Vibrations