Geometry & MOs

Info

ID:	431806
PubChem CID:	135171912
Reduced:	N2O2C13H18 (2)
Stoich.:	A2B2C13D18 (2)
Weight, g/mol:	415.283492
ΔH_f, kcal/mol:	-153.16
Dipole, Da:	5.95
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)OCC(=O)O)NC3=NC=C(C=C3)C(=O)N

DOS

IR

Vibrations