Geometry & MOs

Info

ID:	315701
PubChem CID:	126628588
Reduced:	N3O5C28H33 (1)
Stoich.:	A3B5C28D33 (1)
Weight, g/mol:	461.195071
ΔH_f, kcal/mol:	-172.58
Dipole, Da:	3.99
IP(EA), eV:	-8.77(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylidene-6-[[2-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoyl]amino]-3H-pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC[C@@H]1C=C(N=C1C(=O)OC)NC(=O)C2=C(C=CC(=C2)C3=CC=C(C=C3)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations