Geometry & MOs

Info

ID:	149625
PubChem CID:	53789299
Reduced:	SN4O4C25H26 (1)
Stoich.:	AB4C4D25E26 (1)
Weight, g/mol:	379.265734
ΔH_f, kcal/mol:	-97.55
Dipole, Da:	3.76
IP(EA), eV:	-8.66(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-3-[1-methyl-5-[3-(methylamino)but-3-en-2-yl]pyrrolidin-3-yl]sulfanyl-6-propan-2-yl-1-azabicyclo[3.2.0]heptan-7-one

Drug info:

PubChemData

Smile

COC1=NC2=C(C=C1)SC3=C2NC(=O)N(C3=O)CCN4CC5CCC6=C(C5C4)C=CC=C6OC

DOS

IR

Vibrations