Geometry & MOs

Info

ID:	171112
PubChem CID:	75329798
Reduced:	SN2O7H20C21 (1)
Stoich.:	AB2C7D20E21 (1)
Weight, g/mol:	483.110021
ΔH_f, kcal/mol:	-133.87
Dipole, Da:	6.11
IP(EA), eV:	-8.62(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[2-methoxy-4-[[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

COCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])OC

DOS

IR

Vibrations