Geometry & MOs

Info

ID:	437804
PubChem CID:	135227090
Reduced:	BrOSN2C16H23 (1)
Stoich.:	ABCD2E16F23 (1)
Weight, g/mol:	433.218784
ΔH_f, kcal/mol:	-1.35
Dipole, Da:	7.23
IP(EA), eV:	-8.71(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-cyclopropylsulfanyl-2-(spiro[2.5]octan-6-ylamino)phenyl]-2,6-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=C(C=C2)S(=N)(=O)C3CC3)Br

DOS

IR

Vibrations