Geometry & MOs

Info

ID:	32013
PubChem CID:	4247098
Reduced:	N4O8H16C19 (1)
Stoich.:	A4B8C16D19 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	-96.74
Dipole, Da:	4.69
IP(EA), eV:	-10.49(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(C1)(C2=CC(=CC=C2)[N+](=O)[O-])O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations