Geometry & MOs

Info

ID:	63740
PubChem CID:	26759072
Reduced:	NF2O6C19H19 (1)
Stoich.:	AB2C6D19E19 (1)
Weight, g/mol:	428.140593
ΔH_f, kcal/mol:	-305.05
Dipole, Da:	4.63
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1OC(F)F)OC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations