Geometry & MOs

Info

ID:	236846
PubChem CID:	92714986
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	420.198383
ΔH_f, kcal/mol:	13.18
Dipole, Da:	2.95
IP(EA), eV:	-8.81(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-yl)-5-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)N[C@H](C)C4=CC=CC=C4

DOS

IR

Vibrations