Geometry & MOs

Info

ID:	424605
PubChem CID:	135123305
Reduced:	ClSN5O5C28H30 (1)
Stoich.:	ABC5D5E28F30 (1)
Weight, g/mol:	210.100442
ΔH_f, kcal/mol:	-100.09
Dipole, Da:	11.14
IP(EA), eV:	-9.41(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-methoxy-3-methyl-2-nitroaniline

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=C(O1)N=CC=C2)CC3=C(C=CC(=C3)C(CC(=O)O)C4=C(C5=C(C=C4)N(N=N5)CC)C)Cl

DOS

IR

Vibrations