Geometry & MOs

Info

ID:	141707
PubChem CID:	52919648
Reduced:	FN7H22C23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	427.229165
ΔH_f, kcal/mol:	81.87
Dipole, Da:	5.68
IP(EA), eV:	-8.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-6-(diaminomethylideneamino)-3-(3-hydroxypropanoylamino)-N-methylhexanamide

Drug info:

PubChemData

Smile

C1CN(CC1N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F)CC5=CC=CC=N5

DOS

IR

Vibrations