Geometry & MOs

Info

ID:	307698
PubChem CID:	125308201
Reduced:	SO2N5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-30.15
Dipole, Da:	6.19
IP(EA), eV:	-8.89(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-6-amino-4-[4-[(2R)-1-(dimethylamino)propan-2-yl]oxy-3-methoxyphenyl]-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)N[C@H]2N=C(CS2)CC(=O)NCCC3=C4C=CC=CC4=NC3

DOS

IR

Vibrations