Geometry & MOs

Info

ID:	328907
PubChem CID:	126729094
Reduced:	C2P2H7O8 (1)
Stoich.:	A2B2C7D8 (1)
Weight, g/mol:	474.201553
ΔH_f, kcal/mol:	-384.45
Dipole, Da:	3.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.776837
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[4-[amino(hydroxy)methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazol-5-yl]amino]phenyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

COO[P+](=O)OP(=O)(O)OOC

DOS

IR

Vibrations