Geometry & MOs

Info

ID:	191752
PubChem CID:	78184106
Reduced:	P2N8O15C27H48 (1)
Stoich.:	A2B8C15D27E48 (1)
Weight, g/mol:	323.057592
ΔH_f, kcal/mol:	-777.36
Dipole, Da:	13.31
IP(EA), eV:	-9.46(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1CC2C(CC1C)N(C3C(N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC(=C5NC)CN)O)O)O)O)O

DOS

IR

Vibrations