Geometry & MOs

Info

ID:	306655
PubChem CID:	125093532
Reduced:	SCl3F3N3O4C30H31 (1)
Stoich.:	AB3C3D3E4F30G31 (1)
Weight, g/mol:	330.132805
ΔH_f, kcal/mol:	-296.8
Dipole, Da:	2.48
IP(EA), eV:	-9.76(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-1-methyl-1-(1,2-oxazol-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](CC)N(CC1=C(C=C(C=C1)Cl)Cl)C(=O)CN(C2=C(C=CC(=C2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations