Geometry & MOs

Info

ID:	42112
PubChem CID:	8149202
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-97.69
Dipole, Da:	2.66
IP(EA), eV:	-8.93(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylamino]benzoate

Drug info:

PubChemData

Smile

CC[C@@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CNC3=CC=C(C=C3)C(=O)OC)C

DOS

IR

Vibrations