Geometry & MOs

Info

ID:	218666
PubChem CID:	85089784
Reduced:	N3O4C29H39 (1)
Stoich.:	A3B4C29D39 (1)
Weight, g/mol:	493.319209
ΔH_f, kcal/mol:	-167.1
Dipole, Da:	5.95
IP(EA), eV:	-9.22(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[3-[4-(3-ethyl-3-hydroxy-4,4-dimethylpent-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(CCC1=CC=CC=C1)C(=O)NC(CCC2CCCCC2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations