Geometry & MOs

Info

ID:	322570
PubChem CID:	126670550
Reduced:	FNO5C15H26 (1)
Stoich.:	ABC5D15E26 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-317.14
Dipole, Da:	0.61
IP(EA), eV:	-9.94(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methylamino-[(3Z)-4-[(4S)-2-methyl-4,5-dihydropyrimidin-4-yl]-5-oxohexa-1,3-dien-3-yl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@@H]1C[C@@](CN1C(=O)OC(C)(C)C)(CO)F

DOS

IR

Vibrations