Geometry & MOs

Info

ID:	47182
PubChem CID:	10530386
Reduced:	NI2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	536.242356
ΔH_f, kcal/mol:	20.47
Dipole, Da:	3.95
IP(EA), eV:	-8.15(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(1R)-2-(1-ethylindol-3-yl)-1-(phenylmethoxycarbonylamino)ethyl]-5-methyl-1H-imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CN(C)/C(=C/C1=CC=CC=C1I)/C2=CC(=C(C=C2I)OC)OC

DOS

IR

Vibrations