Geometry & MOs

Info

ID:	69185
PubChem CID:	46530368
Reduced:	NO6C24H25 (1)
Stoich.:	AB6C24D25 (1)
Weight, g/mol:	444.14337
ΔH_f, kcal/mol:	-193.98
Dipole, Da:	1.64
IP(EA), eV:	-9.15(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-[[5-(furan-2-yl)-2-phenylpyrazole-3-carbonyl]amino]benzoyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)OC3=C(C=C(C=C3)/C=C/C(=O)OC)OC)C

DOS

IR

Vibrations