Geometry & MOs

Info

ID:	70932
PubChem CID:	48414063
Reduced:	N2O2C9H10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	389.061632
ΔH_f, kcal/mol:	-104.83
Dipole, Da:	3.54
IP(EA), eV:	-8.51(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations