Geometry & MOs

Info

ID:	302192
PubChem CID:	124360329
Reduced:	N3O4C25H37 (1)
Stoich.:	A3B4C25D37 (1)
Weight, g/mol:	443.278407
ΔH_f, kcal/mol:	-215.13
Dipole, Da:	4.06
IP(EA), eV:	-9.45(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[[(2R)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC1CCCC1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

DOS

IR

Vibrations