Geometry & MOs

Info

ID:	442309
PubChem CID:	135251241
Reduced:	N3F4O4C16H21 (1)
Stoich.:	A3B4C4D16E21 (1)
Weight, g/mol:	350.144199
ΔH_f, kcal/mol:	-354.0
Dipole, Da:	2.46
IP(EA), eV:	-9.67(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-3-[(4S)-4-(4-methoxycyclohexa-2,4-dien-1-yl)oxolan-3-yl]urea

Drug info:

PubChemData

Smile

C1CC2(CCN(CC2)C(=O)O[C@H](CO)C(F)(F)F)OCC1N3C=C(C=N3)F

DOS

IR

Vibrations