Geometry & MOs

Info

ID:	431727
PubChem CID:	135171830
Reduced:	N2O5C28H38 (1)
Stoich.:	A2B5C28D38 (1)
Weight, g/mol:	474.239769
ΔH_f, kcal/mol:	-196.05
Dipole, Da:	5.13
IP(EA), eV:	-8.57(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-[(6-chloropyridazin-3-yl)amino]-4-[(4-hydroxycyclohexyl)-(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)OC)NCC(C2=C3C(=CC(=C2)OCC4CCCCC4)NC(=O)CO3)O

DOS

IR

Vibrations