Geometry & MOs

Info

ID:	315090
PubChem CID:	126624411
Reduced:	O3N5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	434.108956
ΔH_f, kcal/mol:	-29.87
Dipole, Da:	10.1
IP(EA), eV:	-9.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,7aR)-7-hydroxy-7a-methyl-5-oxo-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,3-dihydropyrrolo[1,2-c][1,3]oxazole-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N=C(NC2=CC=C(C=C2)CC(=O)O)NC3=NNC(=C3)C

DOS

IR

Vibrations