Geometry & MOs

Info

ID:	148440
PubChem CID:	53788102
Reduced:	N8O13C43H60 (1)
Stoich.:	A8B13C43D60 (1)
Weight, g/mol:	386.99023
ΔH_f, kcal/mol:	-576.14
Dipole, Da:	18.85
IP(EA), eV:	-8.72(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-iodophenyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea

Drug info:

Smile

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)NC([C@H](C)O)C(=O)O

DOS

IR

Vibrations