Geometry & MOs

Info

ID:	320328
PubChem CID:	126659528
Reduced:	NSO3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	446.256943
ΔH_f, kcal/mol:	-73.18
Dipole, Da:	10.52
IP(EA), eV:	-8.16(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-[4-[4-(hex-5-en-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]-6-methylcyclohexa-2,4-dien-1-yl]cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)C)C(=C1C=CC(=S)C=C1)NC

DOS

IR

Vibrations