Geometry & MOs

Info

ID:	327616
PubChem CID:	126690526
Reduced:	N4O4C25H26 (1)
Stoich.:	A4B4C25D26 (1)
Weight, g/mol:	576.319937
ΔH_f, kcal/mol:	-52.95
Dipole, Da:	7.72
IP(EA), eV:	-9.31(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(4-aminobenzoyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]cyclohexa-1,5-dien-1-yl] 4-heptoxybenzoate

Drug info:

PubChemData

Smile

C/C=C(\C)/C(=O)N(CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC4=C3CCNC4)CC(=O)O

DOS

IR

Vibrations