Geometry & MOs

Info

ID:	302422
PubChem CID:	124361680
Reduced:	Cl2N2O3C14H18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	455.242021
ΔH_f, kcal/mol:	-142.9
Dipole, Da:	4.81
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)NC1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations