Geometry & MOs

Info

ID:	190475
PubChem CID:	78010012
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	567.269299
ΔH_f, kcal/mol:	-59.11
Dipole, Da:	1.33
IP(EA), eV:	-9.1(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[4-[2-(1-ethoxycarbonyloxybutan-2-ylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-methylphenyl)ethyl] ethyl carbonate

Drug info:

PubChemData

Smile

CN1C(=O)CC(=O)C1=CC2=NC(=NC=C2)N3CCOCC3

DOS

IR

Vibrations