Geometry & MOs

Info

ID:	169931
PubChem CID:	75168920
Reduced:	N3O6C19H19 (1)
Stoich.:	A3B6C19D19 (1)
Weight, g/mol:	570.214821
ΔH_f, kcal/mol:	-159.6
Dipole, Da:	6.29
IP(EA), eV:	-10.18(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(diaminomethylideneamino)phenyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate;4-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1(CC2=C(C(C3C(O2)NC(=O)NC3=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C

DOS

IR

Vibrations