Geometry & MOs

Info

ID:	397724
PubChem CID:	135030620
Reduced:	N4O4C35H42 (1)
Stoich.:	A4B4C35D42 (1)
Weight, g/mol:	368.09871
ΔH_f, kcal/mol:	-145.07
Dipole, Da:	7.22
IP(EA), eV:	-8.23(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-6-bromo-2,2-dimethyl-4-[4-(2-methylprop-2-enoxy)but-1-ynyl]-1,3-dioxaspiro[4.5]dec-6-ene

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)N2C(C3(CCN(CC3)C(=O)NC4=CC=C(C=C4)OC)C5=CC=CC=C52)C(=O)NC(C)(C)C)C

DOS

IR

Vibrations