Geometry & MOs

Info

ID:	391088
PubChem CID:	135002731
Reduced:	N2O5H18C20 (1)
Stoich.:	A2B5C18D20 (1)
Weight, g/mol:	445.163771
ΔH_f, kcal/mol:	-96.39
Dipole, Da:	2.87
IP(EA), eV:	-9.48(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-3-benzyl-5-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-4H-imidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC=C(C(=C2C3=CC(=NO3)C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations