Geometry & MOs

Info

ID:	187400
PubChem CID:	77569937
Reduced:	ClSN5O7C33H36 (1)
Stoich.:	ABC5D7E33F36 (1)
Weight, g/mol:	351.256215
ΔH_f, kcal/mol:	-211.19
Dipole, Da:	9.34
IP(EA), eV:	-8.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-7,11,18-trimethyl-14-oxopentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene-6-carbonitrile

Drug info:

PubChemData

Smile

C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CN(C(=O)CCCCNC(CC4=CC=CC=C4)C(=O)N)C(=O)C5=CC=C(S5)Cl

DOS

IR

Vibrations