Geometry & MOs

Info

ID:	307036
PubChem CID:	125264720
Reduced:	SO4N5C21H29 (1)
Stoich.:	AB4C5D21E29 (1)
Weight, g/mol:	426.251858
ΔH_f, kcal/mol:	-132.56
Dipole, Da:	11.4
IP(EA), eV:	-8.71(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[[(4R)-2-cyclohexyl-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)N[C@H](CCSC)C(=O)O)NC(=O)N1CCN2C1=NC3=CC=CC=C32

DOS

IR

Vibrations