Geometry & MOs

Info

ID:	227397
PubChem CID:	87561636
Reduced:	SN2O5C11H14 (1)
Stoich.:	AB2C5D11E14 (1)
Weight, g/mol:	266.129824
ΔH_f, kcal/mol:	-208.76
Dipole, Da:	4.35
IP(EA), eV:	-9.72(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-9-cyclopentyl-5-methyl-7,8-dihydro-6H-pyrimido[4,5-b][1,4]diazepine

Drug info:

PubChemData

Smile

CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C(=O)S)O

DOS

IR

Vibrations