Geometry & MOs

Info

ID:	50051
PubChem CID:	11539029
Reduced:	N2O2C27H36 (1)
Stoich.:	A2B2C27D36 (1)
Weight, g/mol:	421.191403
ΔH_f, kcal/mol:	-67.52
Dipole, Da:	2.38
IP(EA), eV:	-8.67(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(3-tert-butylanilino)-5-fluoropyrimidin-2-yl]amino]-N-methyl-7-oxabicyclo[4.2.0]octa-1(6),2,4-triene-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1(CCC(CC1)NC(=O)CCCC(=O)C2=CC=CC=C2)CCC3=CC=CC=C3

DOS

IR

Vibrations