Geometry & MOs

Info

ID:	418059
PubChem CID:	135103445
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	604.337319
ΔH_f, kcal/mol:	-132.11
Dipole, Da:	1.51
IP(EA), eV:	-9.0(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12R)-3-benzyl-7,12-dimethyl-9-propan-2-yl-13-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-1,4,7,10,13-pentazacyclohexadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CSCC(=O)NCCN2CCCOC2=O)C

DOS

IR

Vibrations