Geometry & MOs

Info

ID:	237010
PubChem CID:	92716782
Reduced:	NOSC10H11 (2)
Stoich.:	ABCD10E11 (2)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-29.18
Dipole, Da:	4.65
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-(1,3,4,6-tetramethylpyrazolo[3,4-b]pyridin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CN(C2=CC=CC=C2)C3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3

DOS

IR

Vibrations