Geometry & MOs

Info

ID:	394333
PubChem CID:	135022779
Reduced:	N3O4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	571.288463
ΔH_f, kcal/mol:	-74.93
Dipole, Da:	3.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.873593
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(1S,2S)-3-chloro-2-methyl-6-oxo-5-propan-2-ylidene-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]indole-1-carboxylate

Drug info:

PubChemData

Smile

C/C(=C\C1=C2C=CN(C2=CC=C1)C(=O)OC(C)(C)C)/CO/C(=C/[N+]#N)/O

DOS

IR

Vibrations