Geometry & MOs

Info

ID:	151681
PubChem CID:	56261108
Reduced:	SN4O5C17H18 (1)
Stoich.:	AB4C5D17E18 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-85.89
Dipole, Da:	6.98
IP(EA), eV:	-9.67(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-[ethyl(propan-2-yl)amino]benzoyl]amino]-5-methoxybenzoate

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CSC=C2)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

DOS

IR

Vibrations