Geometry & MOs

Info

ID:	238019
PubChem CID:	92728825
Reduced:	N5O5C22H27 (1)
Stoich.:	A5B5C22D27 (1)
Weight, g/mol:	489.177897
ΔH_f, kcal/mol:	-159.36
Dipole, Da:	5.18
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[2-[(2S)-6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@H](C(=O)N1CCN(CC1)C2=CC(=O)N(C(=O)N2C)C)N3C(=O)COC4=CC=CC=C43

DOS

IR

Vibrations