Geometry & MOs

Info

ID:	302347
PubChem CID:	124361354
Reduced:	N3O7C27H35 (1)
Stoich.:	A3B7C27D35 (1)
Weight, g/mol:	423.168188
ΔH_f, kcal/mol:	-291.47
Dipole, Da:	1.08
IP(EA), eV:	-9.46(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-2-oxochromen-7-yl) (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)OC

DOS

IR

Vibrations