Geometry & MOs

Info

ID:	42376
PubChem CID:	8149489
Reduced:	N4O5C21H29 (1)
Stoich.:	A4B5C21D29 (1)
Weight, g/mol:	416.20597
ΔH_f, kcal/mol:	-184.11
Dipole, Da:	8.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756433
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(S)-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-morpholin-4-ylmethyl]benzoate

Drug info:

PubChemData

Smile

CC(C)CN1C(=C(C(=O)NC1=O)[C@H](C2=CC=C(C=C2)C(=O)OC)[NH+]3CCOCC3)N

DOS

IR

Vibrations