Geometry & MOs

Info

ID:	304352
PubChem CID:	124557966
Reduced:	N4O6H30C31 (1)
Stoich.:	A4B6C30D31 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-193.48
Dipole, Da:	6.46
IP(EA), eV:	-9.35(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,4S)-2-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4NC3=O)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations