Geometry & MOs

Info

ID:	307333
PubChem CID:	125299606
Reduced:	SN3O4H17C21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	466.06405
ΔH_f, kcal/mol:	-25.72
Dipole, Da:	3.74
IP(EA), eV:	-8.86(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-6-amino-4-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC\2=NC(=O)S/C2=C\[C@H]3C=C4C=C(C=CC4=NC3=O)OC

DOS

IR

Vibrations