Geometry & MOs

Info

ID:	417049
PubChem CID:	135091226
Reduced:	FO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-54.63
Dipole, Da:	3.28
IP(EA), eV:	-9.65(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(cyclopropylmethyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CN(C)CC(=O)NCC2=CC=CC=C2F

DOS

IR

Vibrations