Geometry & MOs

Info

ID:	302187
PubChem CID:	124360324
Reduced:	ClN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	439.210721
ΔH_f, kcal/mol:	-169.99
Dipole, Da:	5.46
IP(EA), eV:	-8.69(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[[2-(4-methoxyanilino)-2-oxoethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCCCC(=O)O)NC(=O)C1=CC2=C(N1C)C=CC(=C2)Cl

DOS

IR

Vibrations