Geometry & MOs

Info

ID:	1485
PubChem CID:	4582
Reduced:	S3N4O5C23H36 (1)
Stoich.:	A3B4C5D23E36 (1)
Weight, g/mol:	544.184784
ΔH_f, kcal/mol:	-212.37
Dipole, Da:	0.8
IP(EA), eV:	-8.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-acetylsulfanyl-8-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]octanoate

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCCC(CCCCC(=O)OC)SC(=O)C)C

DOS

IR

Vibrations