Geometry & MOs

Info

ID:	425679
PubChem CID:	135127321
Reduced:	N3F4O7H13C17 (1)
Stoich.:	A3B4C7D13E17 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-430.26
Dipole, Da:	3.08
IP(EA), eV:	-10.11(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-2-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=O)NC3=NC(=O)N(C=C3)C4C([C@H](C(O4)CO)O)(F)F)OC(O2)(F)F

DOS

IR

Vibrations