Geometry & MOs

Info

ID:	396010
PubChem CID:	135027195
Reduced:	O5C27H30 (1)
Stoich.:	A5B27C30 (1)
Weight, g/mol:	315.08339
ΔH_f, kcal/mol:	-171.13
Dipole, Da:	5.5
IP(EA), eV:	-8.97(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-2-bromo-3-hydroxy-6-methyl-N,N-di(propan-2-yl)cyclohexa-1,3-diene-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H](CC(OC1=O)([C@H]2CCCC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations