Geometry & MOs

Info

ID:	133245
PubChem CID:	51497228
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	379.131425
ΔH_f, kcal/mol:	-47.61
Dipole, Da:	2.63
IP(EA), eV:	-8.23(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C=C)CN(C[C@H]2CCCO2)CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations