Geometry & MOs

Info

ID:	147932
PubChem CID:	53787592
Reduced:	SN5O7H17C18 (1)
Stoich.:	AB5C7D17E18 (1)
Weight, g/mol:	320.144432
ΔH_f, kcal/mol:	-147.59
Dipole, Da:	6.3
IP(EA), eV:	-9.66(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methoxymethyl N-[[(acetamidomethylcarbamoylamino)methylcarbamoylamino]methyl]carbamate

Drug info:

PubChemData

Smile

C=CC1=C(N2[C@H](C(C2=O)NC(=O)C(=NOCC(=O)O)C3=NC(=CC=C3)N)SC1)C(=O)O

DOS

IR

Vibrations