Geometry & MOs

Info

ID:	177477
PubChem CID:	76191635
Reduced:	N3O4C18H29 (1)
Stoich.:	A3B4C18D29 (1)
Weight, g/mol:	548.241704
ΔH_f, kcal/mol:	-189.42
Dipole, Da:	3.26
IP(EA), eV:	-9.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-4-oxo-7-propyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC(=O)NC(CC1(CCCC1)C)C(=O)NC2(CCC2)C(=O)C(=O)N

DOS

IR

Vibrations