Geometry & MOs

Info

ID:	187662
PubChem CID:	77606224
Reduced:	PSN5O8C15H18 (1)
Stoich.:	ABC5D8E15F18 (1)
Weight, g/mol:	717.31962
ΔH_f, kcal/mol:	-303.4
Dipole, Da:	4.81
IP(EA), eV:	-9.49(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[6-amino-2-(10H-phenothiazine-2-carbonylamino)hexanoyl]-N-[1-[(2-methoxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CSC(=C1)CC(C2C(C(C(O2)N3C=NC4C3=NC(=NC4=O)N)O)O)OP(=O)(O)O

DOS

IR

Vibrations