Geometry & MOs

Info

ID:	435735
PubChem CID:	135192274
Reduced:	BrO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	404.347673
ΔH_f, kcal/mol:	-7.52
Dipole, Da:	2.76
IP(EA), eV:	-8.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,5,6,8,10,12,12,14-nonamethyl-4,11-dimethylidenehexadec-15-ene-7-thione

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C(C2=N1)NC3=CC=C(C=C3)N4CCO[C@H](C4)CO)Br

DOS

IR

Vibrations