Geometry & MOs

Info

ID:	13882
PubChem CID:	399567
Reduced:	SN5O5H23C26 (1)
Stoich.:	AB5C5D23E26 (1)
Weight, g/mol:	517.14199
ΔH_f, kcal/mol:	11.34
Dipole, Da:	6.65
IP(EA), eV:	-8.3(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-nitrophenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

DOS

IR

Vibrations